2-amino-4-(2,5-dimethylphenyl)-6-phenylpyridine-3-carbonitrile

C20H17N3 — CID 3351973

IUPAC2-amino-4-(2,5-dimethylphenyl)-6-phenylpyridine-3-carbonitrile
SMILESCc1ccc(C)c(-c2cc(-c3ccccc3)nc(N)c2C#N)c1
InChIInChI=1S/C20H17N3/c1-13-8-9-14(2)16(10-13)17-11-19(15-6-4-3-5-7-15)23-20(22)18(17)12-21/h3-11H,1-2H3,(H2,22,23)
InChIKeyDCQIQDYJUNZHIM-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.49
Rot. Bonds2

About 2-amino-4-(2,5-dimethylphenyl)-6-phenylpyridine-3-carbonitrile

2-amino-4-(2,5-dimethylphenyl)-6-phenylpyridine-3-carbonitrile (PubChem CID 3351973) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-amino-4-(2,5-dimethylphenyl)-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2,5-dimethylphenyl)-6-phenylpyridine-3-carbonitrile
PubChem CID3351973
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name2-amino-4-(2,5-dimethylphenyl)-6-phenylpyridine-3-carbonitrile
SMILESCc1ccc(C)c(-c2cc(-c3ccccc3)nc(N)c2C#N)c1
InChIInChI=1S/C20H17N3/c1-13-8-9-14(2)16(10-13)17-11-19(15-6-4-3-5-7-15)23-20(22)18(17)12-21/h3-11H,1-2H3,(H2,22,23)
InChIKeyDCQIQDYJUNZHIM-UHFFFAOYSA-N
XLogP4.49
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,5-dimethylphenyl)-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2,5-dimethylphenyl)-6-phenylpyridine-3-carbonitrile (CID 3351973) is 2-amino-4-(2,5-dimethylphenyl)-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2,5-dimethylphenyl)-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2,5-dimethylphenyl)-6-phenylpyridine-3-carbonitrile is Cc1ccc(C)c(-c2cc(-c3ccccc3)nc(N)c2C#N)c1.
What is the InChIKey of 2-amino-4-(2,5-dimethylphenyl)-6-phenylpyridine-3-carbonitrile?
The InChIKey is DCQIQDYJUNZHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c1-13-8-9-14(2)16(10-13)17-11-19(15-6-4-3-5-7-15)23-20(22)18(17)12-21/h3-11H,1-2H3,(H2,22,23).
What are the key properties of 2-amino-4-(2,5-dimethylphenyl)-6-phenylpyridine-3-carbonitrile?
2-amino-4-(2,5-dimethylphenyl)-6-phenylpyridine-3-carbonitrile has a molecular weight of 299.38 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,5-dimethylphenyl)-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 3351973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).